Vitas-M small molecule compound
methyl 5-({2-[(1Z)-1-{2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazinylidene}ethyl]phenoxy}methyl)furan-2-carboxylate
Catalog ID
STL176195
SMILES COC(=O)c1ccc(o1)COc1ccccc1/C(=N\NC(=O)CCn1cnc(n1)[N+](=O)[O-])/C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H20N6O7 MW 456.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O7/c1-13(22-23-18(27)9-10-25-12-21-20(24-25)26(29)30)15-5-3-4-6-16(15)32-11-14-7-8-17(33-14)19(28)31-2/h3-8,12H,9-11H2,1-2H3,(H,23,27)/b22-13-InChIKey
SJSOSCARYZCLCU-XKZIYDEJSA-NSynonyms
828296-56-6828296566
CC(=NNC(=O)CCN1C=NC(=N1)(N+)(=O)(O))C2=CC=CC=C2OCC3=CC=C(O3)C(=O)OC
COC(=O)c1ccc(o1)COc1ccccc1C(=NNC(=O)CCn1cnc(n1)(N+)(=O)(O))C
InChI=1SC20H20N6O7c113(222318(27)91025122120(2425)26(29)30)15534616(15)3211147817(3314)19(28)312h3812H911H212H3(H2327)b2213
methyl5((2((1Z)1(2(3(3nitro1H124triazol1yl)propanoyl)hydrazinylidene)ethyl)phenoxy)methyl)furan2carboxylate
METHYL5((2((1Z)1METHYL2(3(3NITRO(124TRIAZOLYL))PROPANOYLAMINO)2AZAVINYL)PHENOXY)METHYL)FURAN2CARBOXYLATE
METHYL5((2((Z)CMETHYLN(3(3NITRO124TRIAZOL1YL)PROPANOYLAMINO)CARBONIMIDOYL)PHENOXY)METHYL)FURAN2CARBOXYLATE
MFCD06195411
ZINC000008815648
ZINC33522472
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